@MOLECULE ZINC00110681 47 49 0 0 0 SMALL USER_CHARGES 5-ethyl-3-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-4-hydroxy-4,5-dimethyl-oxazolidin-2-one @ATOM 1 C1 -0.7317 3.6000 -1.2048 C.3 1 <0> -0.1560 2 C2 -0.7246 2.0704 -1.2377 C.3 1 <0> -0.1230 3 C3 -0.0188 1.5367 0.0105 C.3 1 <0> 0.1142 4 C4 0.0021 -0.0041 0.0020 C.3 1 <0> 0.3060 5 N1 1.4352 -0.3349 -0.0134 N.am 1 <0> -0.6380 6 C5 2.1430 0.8030 -0.0141 C.2 1 <0> 0.6465 7 O1 3.3577 0.8284 -0.0249 O.2 1 <0> -0.5167 8 O2 1.3899 1.9086 -0.0010 O.3 1 <0> -0.3157 9 C6 1.9973 -1.6877 -0.0268 C.3 1 <0> 0.1489 10 C7 2.1793 -2.1500 -1.4739 C.3 1 <0> -0.0609 11 C8 2.7575 -3.5417 -1.4876 C.2 1 <0> -0.1776 12 C9 4.0602 -3.8648 -1.5077 C.2 1 <0> 0.1065 13 N2 4.2034 -5.2255 -1.5113 N.pl3 1 <0> -0.5888 14 H1 5.0512 -5.6966 -1.5220 H 1 <0> 0.4182 15 C10 2.9634 -5.8269 -1.5032 C.ar 1 <0> 0.0871 16 C11 2.0042 -4.7981 -1.4881 C.ar 1 <0> -0.0707 17 C12 0.6439 -5.1129 -1.4771 C.ar 1 <0> -0.1118 18 C13 0.2501 -6.4338 -1.4813 C.ar 1 <0> 0.0754 19 C14 1.1992 -7.4491 -1.4964 C.ar 1 <0> -0.1332 20 C15 2.5445 -7.1528 -1.5072 C.ar 1 <0> -0.0950 21 F1 -1.0649 -6.7431 -1.4704 F 1 <0> -0.1411 22 C16 5.1968 -2.8754 -1.5202 C.3 1 <0> -0.1007 23 C17 -0.6877 -0.5440 -1.2524 C.3 1 <0> -0.1837 24 O3 -0.6197 -0.5210 1.1802 O.3 1 <0> -0.5412 25 C18 -0.7006 2.0569 1.2776 C.3 1 <0> -0.1418 26 H2 -1.2345 3.9802 -2.0940 H 1 <0> 0.0631 27 H3 -1.2598 3.9418 -0.3146 H 1 <0> 0.0631 28 H4 0.2942 3.9677 -1.1823 H 1 <0> 0.0639 29 H5 -0.1965 1.7285 -2.1278 H 1 <0> 0.0776 30 H6 -1.7505 1.7027 -1.2602 H 1 <0> 0.0926 31 H7 2.9633 -1.6848 0.4780 H 1 <0> 0.0901 32 H8 1.3196 -2.3678 0.4894 H 1 <0> 0.0816 33 H9 1.2133 -2.1529 -1.9787 H 1 <0> 0.0755 34 H10 2.8570 -1.4700 -1.9901 H 1 <0> 0.0781 35 H11 -0.0956 -4.3259 -1.4658 H 1 <0> 0.1318 36 H12 0.8788 -8.4805 -1.4999 H 1 <0> 0.1393 37 H13 3.2733 -7.9497 -1.5185 H 1 <0> 0.1314 38 H14 5.4857 -2.6408 -0.4956 H 1 <0> 0.0835 39 H15 6.0477 -3.3060 -2.0480 H 1 <0> 0.0714 40 H16 4.8792 -1.9635 -2.0259 H 1 <0> 0.0896 41 H17 -0.1684 -0.1786 -2.1384 H 1 <0> 0.0815 42 H18 -0.6628 -1.6337 -1.2402 H 1 <0> 0.0733 43 H19 -1.7233 -0.2045 -1.2723 H 1 <0> 0.0881 44 H20 -0.6338 -1.4868 1.2261 H 1 <0> 0.3856 45 H21 -0.1556 1.7055 2.1538 H 1 <0> 0.0706 46 H22 -0.7060 3.1468 1.2659 H 1 <0> 0.0751 47 H23 -1.7259 1.6889 1.3157 H 1 <0> 0.0865 @BOND 1 1 2 1 2 1 26 1 3 1 27 1 4 1 28 1 5 2 3 1 6 2 29 1 7 2 30 1 8 3 8 1 9 3 4 1 10 3 25 1 11 4 5 1 12 4 23 1 13 4 24 1 14 5 6 am 15 5 9 1 16 6 7 2 17 6 8 1 18 9 10 1 19 9 31 1 20 9 32 1 21 10 11 1 22 10 33 1 23 10 34 1 24 11 16 1 25 11 12 2 26 12 13 1 27 12 22 1 28 13 14 1 29 13 15 1 30 15 20 ar 31 15 16 ar 32 16 17 ar 33 17 18 ar 34 17 35 1 35 18 19 ar 36 18 21 1 37 19 20 ar 38 19 36 1 39 20 37 1 40 22 38 1 41 22 39 1 42 22 40 1 43 23 41 1 44 23 42 1 45 23 43 1 46 24 44 1 47 25 45 1 48 25 46 1 49 25 47 1 @MOLECULE ZINC00049100 48 50 0 0 0 SMALL USER_CHARGES 2-[2-(1H-indol-3-yl)ethylamino]-4-oxo-4-(p-tolyl)butanoic acid @ATOM 1 C1 -1.9208 8.0753 5.5192 C.3 1 <0> -0.1260 2 C2 -1.2872 7.3033 4.3907 C.ar 1 <0> -0.0411 3 C3 -0.7527 7.9805 3.3083 C.ar 1 <0> -0.1368 4 C4 -0.1713 7.2813 2.2718 C.ar 1 <0> -0.0488 5 C5 -0.1226 5.8843 2.3162 C.ar 1 <0> -0.1899 6 C6 -0.6697 5.2072 3.4108 C.ar 1 <0> -0.0616 7 C7 -1.2425 5.9210 4.4422 C.ar 1 <0> -0.1342 8 C8 0.4956 5.1304 1.2138 C.2 1 <0> 0.3986 9 O1 0.9645 5.7204 0.2639 O.2 1 <0> -0.4663 10 C9 0.5460 3.6251 1.2656 C.3 1 <0> -0.1608 11 C10 1.2350 3.0943 0.0069 C.3 1 <0> -0.0089 12 H1 0.7272 3.4820 -0.8762 H 1 <0> 0.1425 13 C11 1.1765 1.5884 -0.0006 C.2 1 <0> 0.4605 14 O2 2.1986 0.9442 -0.0139 O.co2 1 <0> -0.6118 15 C12 3.1630 3.5792 -1.3752 C.3 1 <0> 0.0071 16 C13 4.6229 4.0360 -1.3460 C.3 1 <0> -0.0589 17 C14 5.1617 4.0866 -2.7525 C.2 1 <0> -0.1897 18 C15 5.8538 3.1211 -3.3777 C.2 1 <0> 0.0799 19 N1 6.1736 3.5229 -4.6460 N.pl3 1 <0> -0.5911 20 H2 6.6697 2.9935 -5.2898 H 1 <0> 0.4201 21 C16 5.6899 4.7923 -4.8709 C.ar 1 <0> 0.0944 22 C17 5.0348 5.2011 -3.6947 C.ar 1 <0> -0.0992 23 C18 4.4390 6.4619 -3.6315 C.ar 1 <0> -0.0768 24 C19 4.4953 7.2939 -4.7142 C.ar 1 <0> -0.1396 25 C20 5.1407 6.8956 -5.8765 C.ar 1 <0> -0.0971 26 C21 5.7352 5.6554 -5.9606 C.ar 1 <0> -0.1264 27 H3 -2.9821 8.2146 5.3133 H 1 <0> 0.0796 28 H4 -1.8009 7.5216 6.4504 H 1 <0> 0.0732 29 H5 -1.4376 9.0482 5.6102 H 1 <0> 0.0723 30 H6 -0.7914 9.0593 3.2754 H 1 <0> 0.1317 31 H7 0.2456 7.8111 1.4281 H 1 <0> 0.1354 32 H8 -0.6398 4.1284 3.4501 H 1 <0> 0.1367 33 H9 -1.6611 5.3998 5.2904 H 1 <0> 0.1335 34 H10 -0.3844 3.2619 1.3146 H 1 <0> 0.1331 35 H11 1.1058 3.3104 2.1464 H 1 <0> 0.1195 36 H12 3.1014 2.5877 -1.8238 H 1 <0> 0.1318 37 H13 2.5742 4.2819 -1.9648 H 1 <0> 0.1227 38 H14 4.6845 5.0275 -0.8975 H 1 <0> 0.0864 39 H15 5.2118 3.3333 -0.7565 H 1 <0> 0.0909 40 H16 6.1176 2.1677 -2.9443 H 1 <0> 0.1752 41 H17 3.9353 6.7787 -2.7302 H 1 <0> 0.1205 42 H18 4.0338 8.2691 -4.6650 H 1 <0> 0.1240 43 H19 5.1770 7.5643 -6.7238 H 1 <0> 0.1272 44 H20 6.2344 5.3543 -6.8698 H 1 <0> 0.1219 45 O3 -0.0110 0.9628 0.0073 O.co2 1 <0> -0.6985 46 N2 2.6435 3.5324 0.0046 N.4 1 <0> -0.4978 47 H21 3.2044 2.8721 0.5555 H 1 <0> 0.4290 48 H22 2.7078 4.4680 0.4226 H 1 <0> 0.4137 @BOND 1 1 2 1 2 1 27 1 3 1 28 1 4 1 29 1 5 2 7 ar 6 2 3 ar 7 3 4 ar 8 3 30 1 9 4 5 ar 10 4 31 1 11 5 6 ar 12 5 8 1 13 6 7 ar 14 6 32 1 15 7 33 1 16 8 9 2 17 8 10 1 18 10 11 1 19 10 34 1 20 10 35 1 21 11 12 1 22 11 13 1 23 11 46 1 24 13 14 2 25 13 45 1 26 15 16 1 27 15 36 1 28 15 37 1 29 15 46 1 30 16 17 1 31 16 38 1 32 16 39 1 33 17 22 1 34 17 18 2 35 18 19 1 36 18 40 1 37 19 20 1 38 19 21 1 39 21 26 ar 40 21 22 ar 41 22 23 ar 42 23 24 ar 43 23 41 1 44 24 25 ar 45 24 42 1 46 25 26 ar 47 25 43 1 48 26 44 1 49 46 47 1 50 46 48 1